1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C11H16N4O2 — CID 103096462

IUPAC1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C11H16N4O2/c1-4-5-9(16)10-13-11(17-14-10)8-6-12-15(3)7(8)2/h6,9,16H,4-5H2,1-3H3
InChIKeyQVAKRIATBGLRJA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.61
Rot. Bonds4

About 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096462) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096462
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C11H16N4O2/c1-4-5-9(16)10-13-11(17-14-10)8-6-12-15(3)7(8)2/h6,9,16H,4-5H2,1-3H3
InChIKeyQVAKRIATBGLRJA-UHFFFAOYSA-N
XLogP1.61
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096462) is 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2cnn(C)c2C)n1.
What is the InChIKey of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is QVAKRIATBGLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-5-9(16)10-13-11(17-14-10)8-6-12-15(3)7(8)2/h6,9,16H,4-5H2,1-3H3.
What are the key properties of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 236.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).